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Molecular Docking & Visualisation

Course in  Molecular Docking & Visualisation teaches several docking techniques. The interaction of two molecules and the optimal ligand orientation that would result in a complex with overall minimal energy are both determined through molecular docking studies. A crucial tool in computer-assisted drug design (CADD) and structural molecular biology, good docking algorithms efficiently explore high-dimensional spaces and apply a scoring mechanism that fairly ranks potential dockings

Join the course at an affordable price :

Indian Nationals - Rupees 8,000 + GST

Foreign Nationals - $150 (USD)

Key Takeaways from the Internship:

  1. Retrieving and Refining Protein Structures

  2. Retrieving and Refining Ligand Structure

  3. Locating the active site of protein

  4. Protein-Ligand Docking

  5. Result Analysis

  6. Usage of various Visualisation Softwares

  7. Certificates of Completion 

  8. Video Lectures

Image by Richard Horvath

Introduction to Molecular Docking

  • What is Docking?

  • Why it is important?

  • In-silico Research

Molecular Docking using AutoDock

  • Protein Preparation

  • Ligand Preparation

  • Grid boxing the system

  • Performing Molecular Docking

  • Analysing the Results

  • Assignments/Exercise

Visualisation Software

  • Chimera

  • Pymol

  • Protein Plus

  • PLIP

  • Assignments/Exercise

Theoretical Understanding of Molecular Docking

  • Protein-Ligand interaction

  • Binding Energy

  • Molecular Docking Algorithms

  • Assignments/Exercise

Other Important Software

  • AutoDock Vina

  • Chimera

  • PatchDock

  • ClusPro

  • Assignments/Exercise

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